SCHEMBL6778600

SCHEMBL6778600

CCC(C)Cc1ccc(B(O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.57
LIPG Q9Y5X9 7/20 0.57
CA2 P00918 4/20 0.50
CA1 P00915 3/20 0.50
TRPV1 Q8NER1 1/20 0.47
MGLL Q99685 1/20 0.47
F11 P03951 1/20 0.45
CSK P41240 1/20 0.45
ENPP2 Q13822 3/20 0.38
TSHR P16473 1/20 0.37
TRPA1 O75762 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24931550 0.85 LPL (0.55) LPLLIPGCA2CA1TRPV1
SCHEMBL257753 0.81 LPL (0.58) LPLLIPGCA2CA1TRPV1
SCHEMBL3857365 0.80 LPL (0.57) LPLLIPGCA2CA1TRPV1
SCHEMBL18513319 0.79 LPL (0.56) LPLLIPGCA2CA1TRPV1
SCHEMBL26080341 0.78 LPL (0.55) LPLLIPGCA2CA1TRPV1
SCHEMBL20780633 0.78 ENPP2 (0.55) LPLLIPGMGLLENPP2TRPA1
SCHEMBL14478270 0.78 TAAR1 (0.61) LPLLIPGF11CSKTAAR1
SCHEMBL14478212 0.78 TAAR1 (0.61) LPLLIPGF11CSKTAAR1
SCHEMBL19420331 0.77 TRPA1 (0.39) TSHRTRPA1ESR1ESR2TAAR1
SCHEMBL7526486 0.77 TAAR1 (0.59) ESR1ESR2TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 US disclosed
US-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-07-04 US disclosed
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES PARN, PUF60, PARG LPL 4558/4885LIPG 4374/4885CA2 2226/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG LPL 4558/4885LIPG 4374/4885CA2 2226/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.